N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-yl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-yl-1H-pyrrole-2-carboxamide Openeye Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-5-(4-pyridyl)-1H-pyrrole-2-carboxamide CAS Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-yl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-yl-1H-pyrrole-2-carboxamide Traditional Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-5-(4-pyridyl)-1H-pyrrole-2-carboxamide Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(N3)C4=CC=NC=C4

Isomeric SMILES

C[C@H]1[C@@H](C2CCN1CC2)NC(=O)C3=CC=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C18H22N4O/c1-12-17(14-6-10-22(12)11-7-14)21-18(23)16-3-2-15(20-16)13-4-8-19-9-5-13/h2-5,8-9,12,14,17,20H,6-7,10-11H2,1H3,(H,21,23)/t12-,17-/m0/s1